N-ethyl-2-(4-propylphenyl)cycloheptan-1-amine

C18H29N — CID 63511493

IUPACN-ethyl-2-(4-propylphenyl)cycloheptan-1-amine
SMILESCCCc1ccc(C2CCCCCC2NCC)cc1
InChIInChI=1S/C18H29N/c1-3-8-15-11-13-16(14-12-15)17-9-6-5-7-10-18(17)19-4-2/h11-14,17-19H,3-10H2,1-2H3
InChIKeyRZXBTXVKIAPPSL-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.66
Rot. Bonds5

About N-ethyl-2-(4-propylphenyl)cycloheptan-1-amine

N-ethyl-2-(4-propylphenyl)cycloheptan-1-amine (PubChem CID 63511493) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-ethyl-2-(4-propylphenyl)cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-propylphenyl)cycloheptan-1-amine
PubChem CID63511493
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-ethyl-2-(4-propylphenyl)cycloheptan-1-amine
SMILESCCCc1ccc(C2CCCCCC2NCC)cc1
InChIInChI=1S/C18H29N/c1-3-8-15-11-13-16(14-12-15)17-9-6-5-7-10-18(17)19-4-2/h11-14,17-19H,3-10H2,1-2H3
InChIKeyRZXBTXVKIAPPSL-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-(4-propan-2-ylphenyl)cycloheptan-1-amine
CID 55194988
N-ethyl-2-(4-methylphenyl)cyclopentan-1-amine
CID 62604410
N-ethyl-2-(4-propan-2-ylphenyl)cyclohexan-1-amine
CID 63509813
2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine
CID 55197274
N-ethyl-2-(4-phenylphenyl)cyclopentan-1-amine
CID 65454761
2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine
CID 116506679
N-[(4-propylphenyl)methyl]cyclohexanamine
CID 94685509
cis-(1R,2R)-2-(4-propylphenyl)cyclopentan-1-ol
CID 26595070
N-ethyl-2-(3-methylphenyl)cycloheptan-1-amine
CID 62604421
2-N-[(4-bromophenyl)methyl]-1-N-[(4-propylphenyl)methyl]cyclohexane-1,2-diamine
CID 71500072
1-N-[(4-methylphenyl)methyl]-2-N-[(4-propylphenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 71502123
N-ethyl-2-pyridin-3-ylcycloheptan-1-amine
CID 62604063

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-propylphenyl)cycloheptan-1-amine?
The IUPAC name of N-ethyl-2-(4-propylphenyl)cycloheptan-1-amine (CID 63511493) is N-ethyl-2-(4-propylphenyl)cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-propylphenyl)cycloheptan-1-amine?
The canonical SMILES for N-ethyl-2-(4-propylphenyl)cycloheptan-1-amine is CCCc1ccc(C2CCCCCC2NCC)cc1.
What is the InChIKey of N-ethyl-2-(4-propylphenyl)cycloheptan-1-amine?
The InChIKey is RZXBTXVKIAPPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-8-15-11-13-16(14-12-15)17-9-6-5-7-10-18(17)19-4-2/h11-14,17-19H,3-10H2,1-2H3.
What are the key properties of N-ethyl-2-(4-propylphenyl)cycloheptan-1-amine?
N-ethyl-2-(4-propylphenyl)cycloheptan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-propylphenyl)cycloheptan-1-amine is sourced from PubChem (CID 63511493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).